Mrv1652304282211012D          

 15 17  0  0  1  0            999 V2000
    2.7276    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151   -0.1553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0602    0.6294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6477   -0.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    0.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8053    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0064753

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)C[C@@H]2C[C@H]3CCC(=C)[C@@]3(C)[C@@H]2C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H24/c1-10-5-6-12-7-11-8-14(2,3)9-13(11)15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m0/s1

> <INCHI_KEY>
XEORYLRYWDQOAT-KYEXWDHISA-N

> <FORMULA>
C15H24

> <MOLECULAR_WEIGHT>
204.357

> <EXACT_MASS>
204.187800773

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
25.696194218886024

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,6S,8R)-1,4,4-trimethyl-11-methylidenetricyclo[6.3.0.0^{2,6}]undecane

> <ALOGPS_LOGP>
5.03

> <JCHEM_LOGP>
4.159091856666667

> <ALOGPS_LOGS>
-5.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
64.6219

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,6S,8R)-1,4,4-trimethyl-11-methylidenetricyclo[6.3.0.0^{2,6}]undecane

> <JCHEM_VEBER_RULE>
1

> <NP-MRD_ID>
NP0064753

> <GENERIC_NAME>
Hirsutene

$$$$